USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 105 HIS : no HD1:sc= -0.872 K(o=-0.87,f=-1.8) USER MOD Set 1.2: A 108 LYS NZ :NH3+ 159:sc=-0.000283 (180deg=-0.483) USER MOD Single : A 73 SER OG : rot -31:sc= -0.529 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 89 MET CE :methyl -149:sc= -0.107 (180deg=-1.71!) USER MOD Single : A 91 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00622) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -164:sc= -0.0105 (180deg=-0.157) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -143:sc= -0.0474 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -111:sc= 0.462 (180deg=0) USER MOD Single : A 130 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 131 MET CE :methyl -122:sc= -0.159 (180deg=-3.46!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 GLN : amide:sc= -0.0622 K(o=-0.062,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 199 N SER A 73 -4.658 2.867 6.422 1.00 0.00 N ATOM 200 CA SER A 73 -3.270 2.630 6.041 1.00 0.00 C ATOM 201 C SER A 73 -3.189 1.984 4.661 1.00 0.00 C ATOM 202 O SER A 73 -2.248 1.250 4.361 1.00 0.00 O ATOM 203 CB SER A 73 -2.580 1.738 7.075 1.00 0.00 C ATOM 204 OG SER A 73 -3.261 0.504 7.220 1.00 0.00 O ATOM 0 HA SER A 73 -2.760 3.592 6.004 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.549 1.555 6.772 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.543 2.251 8.036 1.00 0.00 H new ATOM 0 HG SER A 73 -4.218 0.638 7.058 1.00 0.00 H new ATOM 210 N ARG A 74 -4.184 2.264 3.824 1.00 0.00 N ATOM 211 CA ARG A 74 -4.227 1.710 2.476 1.00 0.00 C ATOM 212 C ARG A 74 -3.272 2.458 1.551 1.00 0.00 C ATOM 213 O ARG A 74 -3.498 3.621 1.216 1.00 0.00 O ATOM 214 CB ARG A 74 -5.650 1.777 1.920 1.00 0.00 C ATOM 215 CG ARG A 74 -5.829 1.025 0.611 1.00 0.00 C ATOM 216 CD ARG A 74 -7.268 1.089 0.123 1.00 0.00 C ATOM 217 NE ARG A 74 -7.615 -0.058 -0.710 1.00 0.00 N ATOM 218 CZ ARG A 74 -8.812 -0.232 -1.260 1.00 0.00 C ATOM 219 NH1 ARG A 74 -9.770 0.663 -1.066 1.00 0.00 N ATOM 220 NH2 ARG A 74 -9.051 -1.302 -2.007 1.00 0.00 N ATOM 0 H ARG A 74 -4.970 2.871 4.056 1.00 0.00 H new ATOM 0 HA ARG A 74 -3.913 0.667 2.528 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.340 1.370 2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.923 2.821 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.168 1.448 -0.146 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.535 -0.016 0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.940 1.131 0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -7.418 2.008 -0.444 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.899 -0.765 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.589 1.488 -0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.688 0.527 -1.489 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.316 -1.992 -2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.970 -1.435 -2.429 1.00 0.00 H new ATOM 234 N LEU A 75 -2.204 1.782 1.140 1.00 0.00 N ATOM 235 CA LEU A 75 -1.213 2.382 0.253 1.00 0.00 C ATOM 236 C LEU A 75 -1.535 2.079 -1.206 1.00 0.00 C ATOM 237 O LEU A 75 -2.121 1.043 -1.522 1.00 0.00 O ATOM 238 CB LEU A 75 0.186 1.867 0.596 1.00 0.00 C ATOM 239 CG LEU A 75 0.863 2.517 1.803 1.00 0.00 C ATOM 240 CD1 LEU A 75 2.030 1.668 2.282 1.00 0.00 C ATOM 241 CD2 LEU A 75 1.331 3.924 1.458 1.00 0.00 C ATOM 0 H LEU A 75 -2.002 0.818 1.407 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.241 3.462 0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.123 0.794 0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.827 2.008 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 75 0.135 2.585 2.611 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.499 2.147 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.668 0.681 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.760 1.567 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.810 4.372 2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.044 3.879 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.474 4.530 1.164 1.00 0.00 H new ATOM 253 N PHE A 76 -1.147 2.989 -2.094 1.00 0.00 N ATOM 254 CA PHE A 76 -1.393 2.819 -3.521 1.00 0.00 C ATOM 255 C PHE A 76 -0.090 2.559 -4.270 1.00 0.00 C ATOM 256 O PHE A 76 0.785 3.422 -4.336 1.00 0.00 O ATOM 257 CB PHE A 76 -2.084 4.060 -4.092 1.00 0.00 C ATOM 258 CG PHE A 76 -2.139 4.077 -5.593 1.00 0.00 C ATOM 259 CD1 PHE A 76 -2.723 3.032 -6.290 1.00 0.00 C ATOM 260 CD2 PHE A 76 -1.606 5.139 -6.306 1.00 0.00 C ATOM 261 CE1 PHE A 76 -2.776 3.045 -7.671 1.00 0.00 C ATOM 262 CE2 PHE A 76 -1.656 5.158 -7.688 1.00 0.00 C ATOM 263 CZ PHE A 76 -2.240 4.109 -8.371 1.00 0.00 C ATOM 0 H PHE A 76 -0.661 3.852 -1.850 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.045 1.956 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.099 4.115 -3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.559 4.950 -3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.142 2.197 -5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.147 5.961 -5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.236 2.225 -8.202 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.239 5.992 -8.233 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.278 4.120 -9.450 1.00 0.00 H new ATOM 273 N VAL A 77 0.032 1.361 -4.834 1.00 0.00 N ATOM 274 CA VAL A 77 1.227 0.985 -5.579 1.00 0.00 C ATOM 275 C VAL A 77 0.970 1.013 -7.082 1.00 0.00 C ATOM 276 O VAL A 77 0.311 0.129 -7.626 1.00 0.00 O ATOM 277 CB VAL A 77 1.719 -0.419 -5.180 1.00 0.00 C ATOM 278 CG1 VAL A 77 3.002 -0.766 -5.921 1.00 0.00 C ATOM 279 CG2 VAL A 77 1.924 -0.503 -3.675 1.00 0.00 C ATOM 0 H VAL A 77 -0.683 0.635 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 77 1.997 1.716 -5.331 1.00 0.00 H new ATOM 0 HB VAL A 77 0.957 -1.146 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.335 -1.761 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.818 -0.748 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.774 -0.037 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.272 -1.502 -3.410 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.667 0.233 -3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.981 -0.301 -3.167 1.00 0.00 H new ATOM 289 N GLY A 78 1.495 2.037 -7.748 1.00 0.00 N ATOM 290 CA GLY A 78 1.312 2.162 -9.182 1.00 0.00 C ATOM 291 C GLY A 78 2.544 1.749 -9.962 1.00 0.00 C ATOM 292 O GLY A 78 3.590 1.467 -9.380 1.00 0.00 O ATOM 0 H GLY A 78 2.044 2.782 -7.320 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.467 1.548 -9.492 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.062 3.195 -9.425 1.00 0.00 H new ATOM 296 N ASN A 79 2.420 1.712 -11.285 1.00 0.00 N ATOM 297 CA ASN A 79 3.532 1.328 -12.147 1.00 0.00 C ATOM 298 C ASN A 79 4.072 -0.045 -11.758 1.00 0.00 C ATOM 299 O ASN A 79 5.282 -0.236 -11.632 1.00 0.00 O ATOM 300 CB ASN A 79 4.650 2.369 -12.066 1.00 0.00 C ATOM 301 CG ASN A 79 4.483 3.476 -13.090 1.00 0.00 C ATOM 302 OD1 ASN A 79 3.660 4.375 -12.920 1.00 0.00 O ATOM 303 ND2 ASN A 79 5.267 3.414 -14.160 1.00 0.00 N ATOM 0 H ASN A 79 1.561 1.943 -11.783 1.00 0.00 H new ATOM 0 HA ASN A 79 3.165 1.278 -13.172 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.668 2.802 -11.066 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.611 1.879 -12.218 1.00 0.00 H new ATOM 0 HD21 ASN A 79 5.201 4.131 -14.883 1.00 0.00 H new ATOM 0 HD22 ASN A 79 5.935 2.650 -14.259 1.00 0.00 H new ATOM 310 N LEU A 80 3.167 -0.999 -11.571 1.00 0.00 N ATOM 311 CA LEU A 80 3.551 -2.356 -11.197 1.00 0.00 C ATOM 312 C LEU A 80 3.916 -3.178 -12.429 1.00 0.00 C ATOM 313 O LEU A 80 3.289 -3.073 -13.484 1.00 0.00 O ATOM 314 CB LEU A 80 2.414 -3.038 -10.434 1.00 0.00 C ATOM 315 CG LEU A 80 2.283 -2.672 -8.956 1.00 0.00 C ATOM 316 CD1 LEU A 80 0.974 -3.198 -8.389 1.00 0.00 C ATOM 317 CD2 LEU A 80 3.465 -3.215 -8.165 1.00 0.00 C ATOM 0 H LEU A 80 2.162 -0.858 -11.672 1.00 0.00 H new ATOM 0 HA LEU A 80 4.427 -2.294 -10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.474 -2.798 -10.932 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.548 -4.117 -10.510 1.00 0.00 H new ATOM 0 HG LEU A 80 2.282 -1.585 -8.870 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.899 -2.928 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.139 -2.761 -8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.945 -4.283 -8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.355 -2.945 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.498 -4.300 -8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.390 -2.789 -8.554 1.00 0.00 H new ATOM 329 N PRO A 81 4.954 -4.017 -12.295 1.00 0.00 N ATOM 330 CA PRO A 81 5.424 -4.875 -13.387 1.00 0.00 C ATOM 331 C PRO A 81 4.438 -5.991 -13.714 1.00 0.00 C ATOM 332 O PRO A 81 3.649 -6.421 -12.872 1.00 0.00 O ATOM 333 CB PRO A 81 6.730 -5.459 -12.842 1.00 0.00 C ATOM 334 CG PRO A 81 6.576 -5.414 -11.361 1.00 0.00 C ATOM 335 CD PRO A 81 5.747 -4.194 -11.068 1.00 0.00 C ATOM 0 HA PRO A 81 5.544 -4.320 -14.318 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.884 -6.479 -13.193 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.591 -4.876 -13.168 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.087 -6.316 -10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.547 -5.353 -10.869 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.110 -4.341 -10.196 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.371 -3.324 -10.864 1.00 0.00 H new ATOM 343 N PRO A 82 4.481 -6.472 -14.965 1.00 0.00 N ATOM 344 CA PRO A 82 3.597 -7.545 -15.431 1.00 0.00 C ATOM 345 C PRO A 82 3.935 -8.890 -14.797 1.00 0.00 C ATOM 346 O PRO A 82 3.323 -9.910 -15.117 1.00 0.00 O ATOM 347 CB PRO A 82 3.854 -7.586 -16.939 1.00 0.00 C ATOM 348 CG PRO A 82 5.228 -7.035 -17.105 1.00 0.00 C ATOM 349 CD PRO A 82 5.395 -6.007 -16.021 1.00 0.00 C ATOM 0 HA PRO A 82 2.556 -7.359 -15.167 1.00 0.00 H new ATOM 0 HB2 PRO A 82 3.786 -8.603 -17.324 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.120 -6.990 -17.482 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.977 -7.822 -17.016 1.00 0.00 H new ATOM 0 HG3 PRO A 82 5.352 -6.587 -18.091 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.425 -5.959 -15.668 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.131 -5.009 -16.370 1.00 0.00 H new ATOM 357 N ASP A 83 4.911 -8.886 -13.896 1.00 0.00 N ATOM 358 CA ASP A 83 5.329 -10.106 -13.216 1.00 0.00 C ATOM 359 C ASP A 83 5.181 -9.964 -11.704 1.00 0.00 C ATOM 360 O ASP A 83 5.988 -10.492 -10.939 1.00 0.00 O ATOM 361 CB ASP A 83 6.779 -10.441 -13.569 1.00 0.00 C ATOM 362 CG ASP A 83 6.901 -11.155 -14.901 1.00 0.00 C ATOM 363 OD1 ASP A 83 6.207 -10.749 -15.857 1.00 0.00 O ATOM 364 OD2 ASP A 83 7.690 -12.119 -14.987 1.00 0.00 O ATOM 0 H ASP A 83 5.428 -8.051 -13.620 1.00 0.00 H new ATOM 0 HA ASP A 83 4.684 -10.918 -13.552 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.364 -9.522 -13.598 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.206 -11.066 -12.785 1.00 0.00 H new ATOM 369 N ILE A 84 4.145 -9.246 -11.282 1.00 0.00 N ATOM 370 CA ILE A 84 3.892 -9.034 -9.862 1.00 0.00 C ATOM 371 C ILE A 84 2.668 -9.818 -9.400 1.00 0.00 C ATOM 372 O ILE A 84 1.616 -9.783 -10.038 1.00 0.00 O ATOM 373 CB ILE A 84 3.682 -7.542 -9.544 1.00 0.00 C ATOM 374 CG1 ILE A 84 3.544 -7.334 -8.034 1.00 0.00 C ATOM 375 CG2 ILE A 84 2.455 -7.013 -10.271 1.00 0.00 C ATOM 376 CD1 ILE A 84 4.871 -7.220 -7.317 1.00 0.00 C ATOM 0 H ILE A 84 3.468 -8.802 -11.903 1.00 0.00 H new ATOM 0 HA ILE A 84 4.773 -9.390 -9.327 1.00 0.00 H new ATOM 0 HB ILE A 84 4.553 -6.986 -9.890 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.963 -6.430 -7.851 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.981 -8.166 -7.611 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.320 -5.957 -10.036 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.590 -7.131 -11.346 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.575 -7.571 -9.952 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.697 -7.074 -6.251 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.446 -8.133 -7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.427 -6.371 -7.714 1.00 0.00 H new ATOM 388 N THR A 85 2.812 -10.525 -8.283 1.00 0.00 N ATOM 389 CA THR A 85 1.719 -11.317 -7.733 1.00 0.00 C ATOM 390 C THR A 85 1.531 -11.038 -6.246 1.00 0.00 C ATOM 391 O THR A 85 2.333 -10.336 -5.632 1.00 0.00 O ATOM 392 CB THR A 85 1.961 -12.825 -7.935 1.00 0.00 C ATOM 393 OG1 THR A 85 2.913 -13.300 -6.977 1.00 0.00 O ATOM 394 CG2 THR A 85 2.465 -13.109 -9.342 1.00 0.00 C ATOM 0 H THR A 85 3.676 -10.565 -7.742 1.00 0.00 H new ATOM 0 HA THR A 85 0.817 -11.026 -8.271 1.00 0.00 H new ATOM 0 HB THR A 85 1.013 -13.345 -7.794 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.060 -14.260 -7.110 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.629 -14.180 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.725 -12.772 -10.068 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.403 -12.578 -9.507 1.00 0.00 H new ATOM 402 N GLU A 86 0.467 -11.593 -5.675 1.00 0.00 N ATOM 403 CA GLU A 86 0.175 -11.403 -4.259 1.00 0.00 C ATOM 404 C GLU A 86 1.348 -11.859 -3.395 1.00 0.00 C ATOM 405 O GLU A 86 1.521 -11.394 -2.270 1.00 0.00 O ATOM 406 CB GLU A 86 -1.089 -12.172 -3.868 1.00 0.00 C ATOM 407 CG GLU A 86 -2.374 -11.500 -4.321 1.00 0.00 C ATOM 408 CD GLU A 86 -2.795 -11.925 -5.715 1.00 0.00 C ATOM 409 OE1 GLU A 86 -1.919 -12.362 -6.490 1.00 0.00 O ATOM 410 OE2 GLU A 86 -3.998 -11.821 -6.029 1.00 0.00 O ATOM 0 H GLU A 86 -0.207 -12.177 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 86 0.012 -10.339 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.042 -13.173 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.112 -12.289 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.171 -11.737 -3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -2.241 -10.418 -4.300 1.00 0.00 H new ATOM 417 N GLU A 87 2.150 -12.774 -3.932 1.00 0.00 N ATOM 418 CA GLU A 87 3.305 -13.294 -3.210 1.00 0.00 C ATOM 419 C GLU A 87 4.398 -12.235 -3.097 1.00 0.00 C ATOM 420 O GLU A 87 4.848 -11.908 -1.999 1.00 0.00 O ATOM 421 CB GLU A 87 3.855 -14.537 -3.912 1.00 0.00 C ATOM 422 CG GLU A 87 3.223 -15.835 -3.437 1.00 0.00 C ATOM 423 CD GLU A 87 3.929 -16.421 -2.231 1.00 0.00 C ATOM 424 OE1 GLU A 87 5.171 -16.312 -2.159 1.00 0.00 O ATOM 425 OE2 GLU A 87 3.240 -16.990 -1.358 1.00 0.00 O ATOM 0 H GLU A 87 2.021 -13.170 -4.863 1.00 0.00 H new ATOM 0 HA GLU A 87 2.981 -13.566 -2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.696 -14.437 -4.986 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.932 -14.587 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.177 -15.656 -3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.238 -16.561 -4.250 1.00 0.00 H new ATOM 432 N GLU A 88 4.820 -11.704 -4.240 1.00 0.00 N ATOM 433 CA GLU A 88 5.861 -10.683 -4.269 1.00 0.00 C ATOM 434 C GLU A 88 5.480 -9.492 -3.394 1.00 0.00 C ATOM 435 O GLU A 88 6.320 -8.932 -2.690 1.00 0.00 O ATOM 436 CB GLU A 88 6.108 -10.215 -5.705 1.00 0.00 C ATOM 437 CG GLU A 88 7.050 -11.117 -6.485 1.00 0.00 C ATOM 438 CD GLU A 88 8.261 -11.536 -5.674 1.00 0.00 C ATOM 439 OE1 GLU A 88 9.222 -10.743 -5.590 1.00 0.00 O ATOM 440 OE2 GLU A 88 8.247 -12.657 -5.123 1.00 0.00 O ATOM 0 H GLU A 88 4.458 -11.963 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 88 6.777 -11.124 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.154 -10.160 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.519 -9.206 -5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.510 -12.006 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.381 -10.599 -7.385 1.00 0.00 H new ATOM 447 N MET A 89 4.207 -9.112 -3.444 1.00 0.00 N ATOM 448 CA MET A 89 3.714 -7.988 -2.655 1.00 0.00 C ATOM 449 C MET A 89 3.817 -8.286 -1.162 1.00 0.00 C ATOM 450 O MET A 89 4.319 -7.468 -0.390 1.00 0.00 O ATOM 451 CB MET A 89 2.264 -7.675 -3.026 1.00 0.00 C ATOM 452 CG MET A 89 1.782 -6.329 -2.509 1.00 0.00 C ATOM 453 SD MET A 89 0.426 -5.654 -3.487 1.00 0.00 S ATOM 454 CE MET A 89 0.882 -3.924 -3.552 1.00 0.00 C ATOM 0 H MET A 89 3.499 -9.565 -4.022 1.00 0.00 H new ATOM 0 HA MET A 89 4.334 -7.119 -2.878 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.162 -7.696 -4.111 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.619 -8.459 -2.630 1.00 0.00 H new ATOM 0 HG2 MET A 89 1.459 -6.436 -1.473 1.00 0.00 H new ATOM 0 HG3 MET A 89 2.613 -5.624 -2.512 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.019 -3.312 -3.602 1.00 0.00 H new ATOM 0 HE2 MET A 89 1.448 -3.663 -2.658 1.00 0.00 H new ATOM 0 HE3 MET A 89 1.494 -3.742 -4.435 1.00 0.00 H new ATOM 464 N ARG A 90 3.339 -9.459 -0.763 1.00 0.00 N ATOM 465 CA ARG A 90 3.375 -9.863 0.637 1.00 0.00 C ATOM 466 C ARG A 90 4.806 -9.855 1.168 1.00 0.00 C ATOM 467 O ARG A 90 5.054 -9.469 2.311 1.00 0.00 O ATOM 468 CB ARG A 90 2.766 -11.256 0.805 1.00 0.00 C ATOM 469 CG ARG A 90 1.271 -11.238 1.079 1.00 0.00 C ATOM 470 CD ARG A 90 0.721 -12.644 1.258 1.00 0.00 C ATOM 471 NE ARG A 90 -0.710 -12.639 1.550 1.00 0.00 N ATOM 472 CZ ARG A 90 -1.356 -13.672 2.080 1.00 0.00 C ATOM 473 NH1 ARG A 90 -0.702 -14.787 2.375 1.00 0.00 N ATOM 474 NH2 ARG A 90 -2.659 -13.590 2.316 1.00 0.00 N ATOM 0 H ARG A 90 2.922 -10.147 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 90 2.788 -9.146 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.954 -11.837 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.271 -11.768 1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.071 -10.651 1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.755 -10.746 0.255 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.904 -13.223 0.353 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.254 -13.142 2.068 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.243 -11.796 1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.300 -14.853 2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.201 -15.578 2.782 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.165 -12.734 2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.155 -14.383 2.723 1.00 0.00 H new ATOM 488 N LYS A 91 5.745 -10.283 0.331 1.00 0.00 N ATOM 489 CA LYS A 91 7.151 -10.325 0.714 1.00 0.00 C ATOM 490 C LYS A 91 7.755 -8.924 0.720 1.00 0.00 C ATOM 491 O LYS A 91 8.507 -8.565 1.627 1.00 0.00 O ATOM 492 CB LYS A 91 7.935 -11.226 -0.243 1.00 0.00 C ATOM 493 CG LYS A 91 9.217 -11.778 0.355 1.00 0.00 C ATOM 494 CD LYS A 91 9.645 -13.063 -0.333 1.00 0.00 C ATOM 495 CE LYS A 91 8.958 -14.277 0.274 1.00 0.00 C ATOM 496 NZ LYS A 91 9.581 -14.679 1.566 1.00 0.00 N ATOM 0 H LYS A 91 5.557 -10.606 -0.618 1.00 0.00 H new ATOM 0 HA LYS A 91 7.215 -10.734 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.299 -12.057 -0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.177 -10.662 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.010 -11.035 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.072 -11.965 1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.409 -13.004 -1.396 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.726 -13.177 -0.252 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.903 -14.055 0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.006 -15.110 -0.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.129 -15.549 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.597 -14.850 1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.452 -13.919 2.265 1.00 0.00 H new ATOM 510 N LEU A 92 7.421 -8.137 -0.297 1.00 0.00 N ATOM 511 CA LEU A 92 7.930 -6.775 -0.409 1.00 0.00 C ATOM 512 C LEU A 92 7.607 -5.968 0.845 1.00 0.00 C ATOM 513 O LEU A 92 8.387 -5.113 1.264 1.00 0.00 O ATOM 514 CB LEU A 92 7.335 -6.086 -1.638 1.00 0.00 C ATOM 515 CG LEU A 92 7.981 -6.433 -2.980 1.00 0.00 C ATOM 516 CD1 LEU A 92 7.109 -5.957 -4.131 1.00 0.00 C ATOM 517 CD2 LEU A 92 9.373 -5.823 -3.075 1.00 0.00 C ATOM 0 H LEU A 92 6.800 -8.419 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 92 9.013 -6.827 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.275 -6.335 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.402 -5.008 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 92 8.075 -7.517 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.585 -6.213 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.134 -6.440 -4.073 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.982 -4.876 -4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.818 -6.080 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.302 -4.739 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.997 -6.213 -2.271 1.00 0.00 H new ATOM 529 N PHE A 93 6.454 -6.249 1.442 1.00 0.00 N ATOM 530 CA PHE A 93 6.028 -5.551 2.650 1.00 0.00 C ATOM 531 C PHE A 93 6.019 -6.495 3.849 1.00 0.00 C ATOM 532 O PHE A 93 5.154 -6.401 4.719 1.00 0.00 O ATOM 533 CB PHE A 93 4.636 -4.947 2.452 1.00 0.00 C ATOM 534 CG PHE A 93 4.606 -3.828 1.450 1.00 0.00 C ATOM 535 CD1 PHE A 93 4.964 -4.052 0.130 1.00 0.00 C ATOM 536 CD2 PHE A 93 4.219 -2.553 1.828 1.00 0.00 C ATOM 537 CE1 PHE A 93 4.937 -3.024 -0.793 1.00 0.00 C ATOM 538 CE2 PHE A 93 4.190 -1.521 0.909 1.00 0.00 C ATOM 539 CZ PHE A 93 4.548 -1.757 -0.404 1.00 0.00 C ATOM 0 H PHE A 93 5.797 -6.955 1.109 1.00 0.00 H new ATOM 0 HA PHE A 93 6.740 -4.749 2.846 1.00 0.00 H new ATOM 0 HB2 PHE A 93 3.951 -5.731 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.270 -4.577 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.267 -5.041 -0.181 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.937 -2.363 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.220 -3.211 -1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.888 -0.531 1.217 1.00 0.00 H new ATOM 0 HZ PHE A 93 4.524 -0.953 -1.125 1.00 0.00 H new ATOM 549 N GLU A 94 6.988 -7.404 3.886 1.00 0.00 N ATOM 550 CA GLU A 94 7.091 -8.366 4.977 1.00 0.00 C ATOM 551 C GLU A 94 7.769 -7.740 6.193 1.00 0.00 C ATOM 552 O GLU A 94 7.329 -7.924 7.328 1.00 0.00 O ATOM 553 CB GLU A 94 7.871 -9.602 4.525 1.00 0.00 C ATOM 554 CG GLU A 94 9.378 -9.442 4.628 1.00 0.00 C ATOM 555 CD GLU A 94 10.131 -10.605 4.012 1.00 0.00 C ATOM 556 OE1 GLU A 94 10.015 -11.732 4.538 1.00 0.00 O ATOM 557 OE2 GLU A 94 10.837 -10.389 3.004 1.00 0.00 O ATOM 0 H GLU A 94 7.712 -7.494 3.174 1.00 0.00 H new ATOM 0 HA GLU A 94 6.082 -8.665 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.563 -10.456 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.608 -9.829 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 94 9.676 -8.518 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.659 -9.347 5.677 1.00 0.00 H new ATOM 564 N LYS A 95 8.844 -6.999 5.946 1.00 0.00 N ATOM 565 CA LYS A 95 9.585 -6.344 7.018 1.00 0.00 C ATOM 566 C LYS A 95 8.643 -5.573 7.938 1.00 0.00 C ATOM 567 O LYS A 95 8.920 -5.404 9.126 1.00 0.00 O ATOM 568 CB LYS A 95 10.634 -5.395 6.435 1.00 0.00 C ATOM 569 CG LYS A 95 11.802 -5.130 7.370 1.00 0.00 C ATOM 570 CD LYS A 95 11.525 -3.949 8.286 1.00 0.00 C ATOM 571 CE LYS A 95 11.912 -2.633 7.629 1.00 0.00 C ATOM 572 NZ LYS A 95 13.346 -2.301 7.854 1.00 0.00 N ATOM 0 H LYS A 95 9.222 -6.837 5.012 1.00 0.00 H new ATOM 0 HA LYS A 95 10.086 -7.115 7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.013 -5.815 5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 95 10.156 -4.447 6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.998 -6.019 7.970 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.701 -4.935 6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.467 -3.930 8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.080 -4.070 9.216 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.716 -2.690 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.287 -1.832 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.570 -1.397 7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 13.528 -2.221 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 13.943 -3.053 7.454 1.00 0.00 H new ATOM 586 N TYR A 96 7.529 -5.110 7.383 1.00 0.00 N ATOM 587 CA TYR A 96 6.547 -4.356 8.153 1.00 0.00 C ATOM 588 C TYR A 96 5.371 -5.243 8.552 1.00 0.00 C ATOM 589 O TYR A 96 4.232 -4.784 8.632 1.00 0.00 O ATOM 590 CB TYR A 96 6.046 -3.157 7.347 1.00 0.00 C ATOM 591 CG TYR A 96 7.073 -2.600 6.388 1.00 0.00 C ATOM 592 CD1 TYR A 96 7.167 -3.075 5.086 1.00 0.00 C ATOM 593 CD2 TYR A 96 7.952 -1.599 6.785 1.00 0.00 C ATOM 594 CE1 TYR A 96 8.105 -2.569 4.207 1.00 0.00 C ATOM 595 CE2 TYR A 96 8.892 -1.086 5.912 1.00 0.00 C ATOM 596 CZ TYR A 96 8.965 -1.575 4.624 1.00 0.00 C ATOM 597 OH TYR A 96 9.901 -1.067 3.752 1.00 0.00 O ATOM 0 H TYR A 96 7.283 -5.244 6.402 1.00 0.00 H new ATOM 0 HA TYR A 96 7.032 -3.997 9.060 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.160 -3.452 6.786 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.740 -2.370 8.036 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.495 -3.853 4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 96 7.899 -1.216 7.793 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.164 -2.950 3.198 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.566 -0.307 6.236 1.00 0.00 H new ATOM 0 HH TYR A 96 10.426 -0.373 4.203 1.00 0.00 H new ATOM 607 N GLY A 97 5.657 -6.517 8.802 1.00 0.00 N ATOM 608 CA GLY A 97 4.614 -7.449 9.190 1.00 0.00 C ATOM 609 C GLY A 97 3.695 -7.804 8.037 1.00 0.00 C ATOM 610 O GLY A 97 3.855 -7.296 6.927 1.00 0.00 O ATOM 0 H GLY A 97 6.592 -6.920 8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 97 5.071 -8.359 9.580 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.026 -7.015 9.999 1.00 0.00 H new ATOM 614 N LYS A 98 2.730 -8.678 8.300 1.00 0.00 N ATOM 615 CA LYS A 98 1.782 -9.102 7.277 1.00 0.00 C ATOM 616 C LYS A 98 0.760 -8.005 6.996 1.00 0.00 C ATOM 617 O LYS A 98 0.301 -7.321 7.910 1.00 0.00 O ATOM 618 CB LYS A 98 1.065 -10.381 7.715 1.00 0.00 C ATOM 619 CG LYS A 98 1.973 -11.597 7.773 1.00 0.00 C ATOM 620 CD LYS A 98 1.181 -12.874 7.996 1.00 0.00 C ATOM 621 CE LYS A 98 0.808 -13.052 9.460 1.00 0.00 C ATOM 622 NZ LYS A 98 1.989 -13.412 10.293 1.00 0.00 N ATOM 0 H LYS A 98 2.584 -9.107 9.214 1.00 0.00 H new ATOM 0 HA LYS A 98 2.338 -9.301 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.622 -10.221 8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.245 -10.582 7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.537 -11.675 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.698 -11.473 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.276 -12.852 7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.768 -13.730 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.365 -12.130 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.050 -13.830 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.667 -13.786 11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.552 -14.136 9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.574 -12.566 10.450 1.00 0.00 H new ATOM 636 N ALA A 99 0.406 -7.843 5.725 1.00 0.00 N ATOM 637 CA ALA A 99 -0.564 -6.832 5.324 1.00 0.00 C ATOM 638 C ALA A 99 -1.991 -7.316 5.562 1.00 0.00 C ATOM 639 O ALA A 99 -2.278 -8.507 5.459 1.00 0.00 O ATOM 640 CB ALA A 99 -0.368 -6.462 3.861 1.00 0.00 C ATOM 0 H ALA A 99 0.777 -8.400 4.955 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.401 -5.945 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.100 -5.706 3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.637 -6.066 3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.501 -7.348 3.241 1.00 0.00 H new ATOM 646 N GLY A 100 -2.882 -6.382 5.882 1.00 0.00 N ATOM 647 CA GLY A 100 -4.268 -6.733 6.130 1.00 0.00 C ATOM 648 C GLY A 100 -5.042 -6.980 4.851 1.00 0.00 C ATOM 649 O GLY A 100 -5.805 -7.941 4.756 1.00 0.00 O ATOM 0 H GLY A 100 -2.668 -5.389 5.974 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.307 -7.627 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.747 -5.931 6.692 1.00 0.00 H new ATOM 653 N GLU A 101 -4.846 -6.110 3.865 1.00 0.00 N ATOM 654 CA GLU A 101 -5.535 -6.238 2.586 1.00 0.00 C ATOM 655 C GLU A 101 -4.550 -6.128 1.425 1.00 0.00 C ATOM 656 O GLU A 101 -3.713 -5.226 1.389 1.00 0.00 O ATOM 657 CB GLU A 101 -6.617 -5.164 2.455 1.00 0.00 C ATOM 658 CG GLU A 101 -7.623 -5.446 1.351 1.00 0.00 C ATOM 659 CD GLU A 101 -8.755 -4.437 1.322 1.00 0.00 C ATOM 660 OE1 GLU A 101 -9.390 -4.228 2.376 1.00 0.00 O ATOM 661 OE2 GLU A 101 -9.004 -3.857 0.244 1.00 0.00 O ATOM 0 H GLU A 101 -4.216 -5.310 3.927 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.004 -7.222 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.146 -5.076 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.141 -4.202 2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -7.112 -5.441 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.036 -6.446 1.487 1.00 0.00 H new ATOM 668 N VAL A 102 -4.657 -7.053 0.477 1.00 0.00 N ATOM 669 CA VAL A 102 -3.778 -7.062 -0.686 1.00 0.00 C ATOM 670 C VAL A 102 -4.558 -7.356 -1.963 1.00 0.00 C ATOM 671 O VAL A 102 -5.145 -8.428 -2.112 1.00 0.00 O ATOM 672 CB VAL A 102 -2.654 -8.104 -0.533 1.00 0.00 C ATOM 673 CG1 VAL A 102 -1.818 -8.179 -1.801 1.00 0.00 C ATOM 674 CG2 VAL A 102 -1.783 -7.774 0.670 1.00 0.00 C ATOM 0 H VAL A 102 -5.344 -7.807 0.492 1.00 0.00 H new ATOM 0 HA VAL A 102 -3.335 -6.068 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 102 -3.108 -9.081 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.029 -8.920 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -2.453 -8.465 -2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.371 -7.205 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.994 -8.520 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.337 -6.789 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.394 -7.777 1.573 1.00 0.00 H new ATOM 684 N PHE A 103 -4.560 -6.396 -2.882 1.00 0.00 N ATOM 685 CA PHE A 103 -5.268 -6.552 -4.148 1.00 0.00 C ATOM 686 C PHE A 103 -4.418 -6.052 -5.312 1.00 0.00 C ATOM 687 O PHE A 103 -3.962 -4.908 -5.316 1.00 0.00 O ATOM 688 CB PHE A 103 -6.596 -5.793 -4.109 1.00 0.00 C ATOM 689 CG PHE A 103 -7.675 -6.511 -3.350 1.00 0.00 C ATOM 690 CD1 PHE A 103 -7.977 -7.834 -3.634 1.00 0.00 C ATOM 691 CD2 PHE A 103 -8.388 -5.864 -2.354 1.00 0.00 C ATOM 692 CE1 PHE A 103 -8.969 -8.498 -2.937 1.00 0.00 C ATOM 693 CE2 PHE A 103 -9.381 -6.523 -1.654 1.00 0.00 C ATOM 694 CZ PHE A 103 -9.672 -7.841 -1.946 1.00 0.00 C ATOM 0 H PHE A 103 -4.080 -5.503 -2.774 1.00 0.00 H new ATOM 0 HA PHE A 103 -5.467 -7.613 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.433 -4.815 -3.656 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.936 -5.618 -5.130 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.431 -8.352 -4.409 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.165 -4.833 -2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.194 -9.529 -3.167 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.929 -6.008 -0.879 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.448 -8.357 -1.400 1.00 0.00 H new ATOM 704 N ILE A 104 -4.208 -6.918 -6.297 1.00 0.00 N ATOM 705 CA ILE A 104 -3.413 -6.566 -7.467 1.00 0.00 C ATOM 706 C ILE A 104 -4.215 -6.747 -8.752 1.00 0.00 C ATOM 707 O ILE A 104 -4.741 -7.827 -9.020 1.00 0.00 O ATOM 708 CB ILE A 104 -2.130 -7.413 -7.552 1.00 0.00 C ATOM 709 CG1 ILE A 104 -1.263 -7.192 -6.311 1.00 0.00 C ATOM 710 CG2 ILE A 104 -1.352 -7.071 -8.815 1.00 0.00 C ATOM 711 CD1 ILE A 104 -0.068 -8.115 -6.236 1.00 0.00 C ATOM 0 H ILE A 104 -4.577 -7.869 -6.308 1.00 0.00 H new ATOM 0 HA ILE A 104 -3.139 -5.517 -7.358 1.00 0.00 H new ATOM 0 HB ILE A 104 -2.410 -8.466 -7.594 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.915 -6.159 -6.300 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -1.876 -7.331 -5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.448 -7.678 -8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.970 -7.274 -9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.080 -6.016 -8.800 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.500 -7.901 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -0.409 -9.150 -6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.567 -7.960 -7.108 1.00 0.00 H new ATOM 723 N HIS A 105 -4.302 -5.683 -9.544 1.00 0.00 N ATOM 724 CA HIS A 105 -5.037 -5.725 -10.803 1.00 0.00 C ATOM 725 C HIS A 105 -4.084 -5.660 -11.992 1.00 0.00 C ATOM 726 O HIS A 105 -3.351 -4.685 -12.161 1.00 0.00 O ATOM 727 CB HIS A 105 -6.038 -4.571 -10.872 1.00 0.00 C ATOM 728 CG HIS A 105 -7.237 -4.868 -11.719 1.00 0.00 C ATOM 729 ND1 HIS A 105 -7.915 -3.899 -12.429 1.00 0.00 N ATOM 730 CD2 HIS A 105 -7.877 -6.033 -11.969 1.00 0.00 C ATOM 731 CE1 HIS A 105 -8.922 -4.456 -13.077 1.00 0.00 C ATOM 732 NE2 HIS A 105 -8.921 -5.751 -12.816 1.00 0.00 N ATOM 0 H HIS A 105 -3.873 -4.781 -9.336 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.579 -6.670 -10.847 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -6.368 -4.326 -9.862 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -5.535 -3.688 -11.266 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -7.616 -7.004 -11.576 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -9.627 -3.940 -13.712 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -9.587 -6.431 -13.183 1.00 0.00 H new ATOM 740 N LYS A 106 -4.097 -6.705 -12.813 1.00 0.00 N ATOM 741 CA LYS A 106 -3.234 -6.767 -13.986 1.00 0.00 C ATOM 742 C LYS A 106 -3.830 -5.970 -15.142 1.00 0.00 C ATOM 743 O LYS A 106 -3.128 -5.214 -15.814 1.00 0.00 O ATOM 744 CB LYS A 106 -3.022 -8.222 -14.412 1.00 0.00 C ATOM 745 CG LYS A 106 -2.034 -8.383 -15.555 1.00 0.00 C ATOM 746 CD LYS A 106 -2.213 -9.715 -16.263 1.00 0.00 C ATOM 747 CE LYS A 106 -1.524 -10.843 -15.510 1.00 0.00 C ATOM 748 NZ LYS A 106 -1.383 -12.065 -16.350 1.00 0.00 N ATOM 0 H LYS A 106 -4.696 -7.521 -12.687 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.272 -6.328 -13.722 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -2.669 -8.795 -13.555 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.980 -8.648 -14.708 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.166 -7.570 -16.269 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.017 -8.308 -15.171 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -3.276 -9.937 -16.360 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -1.808 -9.649 -17.273 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.539 -10.512 -15.182 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.095 -11.083 -14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.909 -12.811 -15.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.325 -12.396 -16.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -0.817 -11.843 -17.194 1.00 0.00 H new ATOM 762 N ASP A 107 -5.128 -6.143 -15.367 1.00 0.00 N ATOM 763 CA ASP A 107 -5.819 -5.437 -16.441 1.00 0.00 C ATOM 764 C ASP A 107 -5.451 -3.957 -16.442 1.00 0.00 C ATOM 765 O ASP A 107 -4.903 -3.443 -17.418 1.00 0.00 O ATOM 766 CB ASP A 107 -7.333 -5.600 -16.295 1.00 0.00 C ATOM 767 CG ASP A 107 -8.105 -4.601 -17.134 1.00 0.00 C ATOM 768 OD1 ASP A 107 -8.273 -3.449 -16.680 1.00 0.00 O ATOM 769 OD2 ASP A 107 -8.541 -4.971 -18.244 1.00 0.00 O ATOM 0 H ASP A 107 -5.723 -6.766 -14.820 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.505 -5.871 -17.390 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -7.617 -6.611 -16.586 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.609 -5.481 -15.247 1.00 0.00 H new ATOM 774 N LYS A 108 -5.758 -3.275 -15.344 1.00 0.00 N ATOM 775 CA LYS A 108 -5.460 -1.853 -15.217 1.00 0.00 C ATOM 776 C LYS A 108 -3.979 -1.631 -14.928 1.00 0.00 C ATOM 777 O LYS A 108 -3.407 -0.614 -15.317 1.00 0.00 O ATOM 778 CB LYS A 108 -6.307 -1.231 -14.104 1.00 0.00 C ATOM 779 CG LYS A 108 -7.784 -1.136 -14.445 1.00 0.00 C ATOM 780 CD LYS A 108 -8.439 0.050 -13.756 1.00 0.00 C ATOM 781 CE LYS A 108 -8.974 -0.329 -12.384 1.00 0.00 C ATOM 782 NZ LYS A 108 -7.882 -0.455 -11.379 1.00 0.00 N ATOM 0 H LYS A 108 -6.214 -3.684 -14.528 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.703 -1.370 -16.163 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.190 -1.822 -13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.928 -0.233 -13.885 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -7.904 -1.043 -15.524 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -8.287 -2.055 -14.146 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.715 0.859 -13.655 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -9.254 0.427 -14.374 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.688 0.424 -12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.515 -1.273 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.278 -0.359 -10.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.428 -1.386 -11.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.176 0.292 -11.538 1.00 0.00 H new ATOM 796 N GLY A 109 -3.363 -2.591 -14.245 1.00 0.00 N ATOM 797 CA GLY A 109 -1.953 -2.481 -13.917 1.00 0.00 C ATOM 798 C GLY A 109 -1.711 -1.661 -12.666 1.00 0.00 C ATOM 799 O GLY A 109 -1.062 -0.616 -12.716 1.00 0.00 O ATOM 0 H GLY A 109 -3.815 -3.443 -13.913 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -1.536 -3.479 -13.780 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.423 -2.026 -14.754 1.00 0.00 H new ATOM 803 N PHE A 110 -2.236 -2.133 -11.540 1.00 0.00 N ATOM 804 CA PHE A 110 -2.076 -1.435 -10.270 1.00 0.00 C ATOM 805 C PHE A 110 -2.195 -2.404 -9.097 1.00 0.00 C ATOM 806 O PHE A 110 -2.577 -3.560 -9.270 1.00 0.00 O ATOM 807 CB PHE A 110 -3.122 -0.326 -10.138 1.00 0.00 C ATOM 808 CG PHE A 110 -2.852 0.860 -11.019 1.00 0.00 C ATOM 809 CD1 PHE A 110 -1.990 1.864 -10.607 1.00 0.00 C ATOM 810 CD2 PHE A 110 -3.460 0.972 -12.259 1.00 0.00 C ATOM 811 CE1 PHE A 110 -1.741 2.957 -11.415 1.00 0.00 C ATOM 812 CE2 PHE A 110 -3.214 2.062 -13.072 1.00 0.00 C ATOM 813 CZ PHE A 110 -2.352 3.056 -12.650 1.00 0.00 C ATOM 0 H PHE A 110 -2.776 -2.996 -11.481 1.00 0.00 H new ATOM 0 HA PHE A 110 -1.081 -0.991 -10.252 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -4.104 -0.733 -10.380 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.161 0.004 -9.100 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -1.507 1.791 -9.644 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.134 0.198 -12.594 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -1.069 3.734 -11.081 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.695 2.137 -14.036 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.156 3.908 -13.284 1.00 0.00 H new ATOM 823 N GLY A 111 -1.864 -1.922 -7.903 1.00 0.00 N ATOM 824 CA GLY A 111 -1.940 -2.758 -6.719 1.00 0.00 C ATOM 825 C GLY A 111 -2.201 -1.956 -5.459 1.00 0.00 C ATOM 826 O GLY A 111 -1.494 -0.991 -5.171 1.00 0.00 O ATOM 0 H GLY A 111 -1.545 -0.968 -7.734 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.733 -3.494 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.007 -3.311 -6.608 1.00 0.00 H new ATOM 830 N PHE A 112 -3.221 -2.356 -4.707 1.00 0.00 N ATOM 831 CA PHE A 112 -3.576 -1.666 -3.472 1.00 0.00 C ATOM 832 C PHE A 112 -3.281 -2.541 -2.257 1.00 0.00 C ATOM 833 O PHE A 112 -3.816 -3.643 -2.127 1.00 0.00 O ATOM 834 CB PHE A 112 -5.056 -1.277 -3.488 1.00 0.00 C ATOM 835 CG PHE A 112 -5.448 -0.461 -4.686 1.00 0.00 C ATOM 836 CD1 PHE A 112 -5.827 -1.078 -5.867 1.00 0.00 C ATOM 837 CD2 PHE A 112 -5.438 0.924 -4.630 1.00 0.00 C ATOM 838 CE1 PHE A 112 -6.189 -0.329 -6.971 1.00 0.00 C ATOM 839 CE2 PHE A 112 -5.799 1.677 -5.731 1.00 0.00 C ATOM 840 CZ PHE A 112 -6.174 1.050 -6.903 1.00 0.00 C ATOM 0 H PHE A 112 -3.816 -3.154 -4.931 1.00 0.00 H new ATOM 0 HA PHE A 112 -2.971 -0.762 -3.402 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.662 -2.183 -3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.285 -0.713 -2.584 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -5.840 -2.156 -5.926 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.145 1.420 -3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -6.483 -0.822 -7.886 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -5.788 2.755 -5.675 1.00 0.00 H new ATOM 0 HZ PHE A 112 -6.455 1.637 -7.765 1.00 0.00 H new ATOM 850 N ILE A 113 -2.428 -2.042 -1.369 1.00 0.00 N ATOM 851 CA ILE A 113 -2.062 -2.776 -0.165 1.00 0.00 C ATOM 852 C ILE A 113 -2.563 -2.064 1.087 1.00 0.00 C ATOM 853 O ILE A 113 -2.676 -0.838 1.113 1.00 0.00 O ATOM 854 CB ILE A 113 -0.537 -2.962 -0.060 1.00 0.00 C ATOM 855 CG1 ILE A 113 -0.203 -4.047 0.966 1.00 0.00 C ATOM 856 CG2 ILE A 113 0.132 -1.648 0.315 1.00 0.00 C ATOM 857 CD1 ILE A 113 1.107 -4.754 0.693 1.00 0.00 C ATOM 0 H ILE A 113 -1.977 -1.132 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 113 -2.535 -3.755 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.157 -3.277 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.164 -3.598 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.007 -4.782 0.980 1.00 0.00 H new ATOM 0 HG21 ILE A 113 1.210 -1.795 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.083 -0.900 -0.448 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.251 -1.306 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 113 1.279 -5.510 1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.065 -5.233 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 113 1.921 -4.030 0.708 1.00 0.00 H new ATOM 869 N ARG A 114 -2.861 -2.840 2.124 1.00 0.00 N ATOM 870 CA ARG A 114 -3.350 -2.283 3.380 1.00 0.00 C ATOM 871 C ARG A 114 -2.606 -2.886 4.568 1.00 0.00 C ATOM 872 O ARG A 114 -2.590 -4.104 4.750 1.00 0.00 O ATOM 873 CB ARG A 114 -4.852 -2.535 3.524 1.00 0.00 C ATOM 874 CG ARG A 114 -5.514 -1.676 4.588 1.00 0.00 C ATOM 875 CD ARG A 114 -6.706 -2.384 5.214 1.00 0.00 C ATOM 876 NE ARG A 114 -6.314 -3.216 6.349 1.00 0.00 N ATOM 877 CZ ARG A 114 -7.017 -4.261 6.770 1.00 0.00 C ATOM 878 NH1 ARG A 114 -8.140 -4.601 6.154 1.00 0.00 N ATOM 879 NH2 ARG A 114 -6.596 -4.969 7.810 1.00 0.00 N ATOM 0 H ARG A 114 -2.772 -3.856 2.119 1.00 0.00 H new ATOM 0 HA ARG A 114 -3.169 -1.208 3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -5.337 -2.349 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -5.014 -3.586 3.765 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.788 -1.430 5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -5.840 -0.734 4.146 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.436 -1.644 5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.196 -3.003 4.462 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.454 -2.982 6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -8.467 -4.059 5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -8.677 -5.404 6.480 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -5.732 -4.711 8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -7.136 -5.772 8.133 1.00 0.00 H new ATOM 893 N LEU A 115 -1.991 -2.027 5.372 1.00 0.00 N ATOM 894 CA LEU A 115 -1.244 -2.474 6.543 1.00 0.00 C ATOM 895 C LEU A 115 -2.101 -2.387 7.801 1.00 0.00 C ATOM 896 O LEU A 115 -3.266 -1.993 7.744 1.00 0.00 O ATOM 897 CB LEU A 115 0.023 -1.634 6.716 1.00 0.00 C ATOM 898 CG LEU A 115 0.831 -1.369 5.445 1.00 0.00 C ATOM 899 CD1 LEU A 115 2.136 -0.663 5.780 1.00 0.00 C ATOM 900 CD2 LEU A 115 1.102 -2.670 4.704 1.00 0.00 C ATOM 0 H LEU A 115 -1.994 -1.016 5.235 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.963 -3.516 6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.258 -0.675 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.670 -2.133 7.437 1.00 0.00 H new ATOM 0 HG LEU A 115 0.246 -0.719 4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.698 -0.483 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 115 1.921 0.288 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 115 2.726 -1.288 6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.678 -2.462 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.667 -3.345 5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.156 -3.137 4.430 1.00 0.00 H new ATOM 912 N GLU A 116 -1.516 -2.755 8.937 1.00 0.00 N ATOM 913 CA GLU A 116 -2.227 -2.716 10.209 1.00 0.00 C ATOM 914 C GLU A 116 -2.101 -1.343 10.862 1.00 0.00 C ATOM 915 O GLU A 116 -3.085 -0.616 11.003 1.00 0.00 O ATOM 916 CB GLU A 116 -1.687 -3.793 11.153 1.00 0.00 C ATOM 917 CG GLU A 116 -2.649 -4.160 12.271 1.00 0.00 C ATOM 918 CD GLU A 116 -1.997 -5.007 13.347 1.00 0.00 C ATOM 919 OE1 GLU A 116 -1.109 -5.817 13.006 1.00 0.00 O ATOM 920 OE2 GLU A 116 -2.374 -4.860 14.528 1.00 0.00 O ATOM 0 H GLU A 116 -0.552 -3.083 9.002 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.281 -2.910 10.012 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -1.456 -4.688 10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.751 -3.445 11.590 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.043 -3.248 12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.497 -4.701 11.852 1.00 0.00 H new ATOM 927 N THR A 117 -0.881 -0.993 11.260 1.00 0.00 N ATOM 928 CA THR A 117 -0.625 0.292 11.899 1.00 0.00 C ATOM 929 C THR A 117 -0.473 1.400 10.864 1.00 0.00 C ATOM 930 O THR A 117 -0.662 1.176 9.668 1.00 0.00 O ATOM 931 CB THR A 117 0.644 0.242 12.771 1.00 0.00 C ATOM 932 OG1 THR A 117 1.787 -0.041 11.958 1.00 0.00 O ATOM 933 CG2 THR A 117 0.513 -0.816 13.857 1.00 0.00 C ATOM 0 H THR A 117 -0.055 -1.582 11.151 1.00 0.00 H new ATOM 0 HA THR A 117 -1.485 0.507 12.533 1.00 0.00 H new ATOM 0 HB THR A 117 0.770 1.215 13.246 1.00 0.00 H new ATOM 0 HG1 THR A 117 2.404 -0.621 12.451 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.421 -0.833 14.460 1.00 0.00 H new ATOM 0 HG22 THR A 117 -0.341 -0.581 14.493 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.365 -1.793 13.397 1.00 0.00 H new ATOM 941 N ARG A 118 -0.129 2.596 11.331 1.00 0.00 N ATOM 942 CA ARG A 118 0.048 3.740 10.445 1.00 0.00 C ATOM 943 C ARG A 118 1.526 4.089 10.297 1.00 0.00 C ATOM 944 O ARG A 118 1.973 4.507 9.228 1.00 0.00 O ATOM 945 CB ARG A 118 -0.722 4.950 10.978 1.00 0.00 C ATOM 946 CG ARG A 118 -0.574 5.153 12.477 1.00 0.00 C ATOM 947 CD ARG A 118 -1.561 4.298 13.256 1.00 0.00 C ATOM 948 NE ARG A 118 -2.848 4.966 13.427 1.00 0.00 N ATOM 949 CZ ARG A 118 -3.880 4.794 12.609 1.00 0.00 C ATOM 950 NH1 ARG A 118 -3.777 3.978 11.569 1.00 0.00 N ATOM 951 NH2 ARG A 118 -5.019 5.438 12.832 1.00 0.00 N ATOM 0 H ARG A 118 0.033 2.798 12.318 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.345 3.472 9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -0.376 5.846 10.463 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -1.779 4.832 10.738 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.443 4.904 12.780 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -0.731 6.204 12.720 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -1.710 3.352 12.736 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -1.142 4.062 14.234 1.00 0.00 H new ATOM 0 HE ARG A 118 -2.961 5.600 14.218 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -2.904 3.481 11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -4.571 3.848 10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -5.102 6.065 13.632 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.811 5.306 12.203 1.00 0.00 H new ATOM 965 N THR A 119 2.281 3.917 11.377 1.00 0.00 N ATOM 966 CA THR A 119 3.708 4.215 11.369 1.00 0.00 C ATOM 967 C THR A 119 4.431 3.410 10.295 1.00 0.00 C ATOM 968 O THR A 119 5.237 3.951 9.537 1.00 0.00 O ATOM 969 CB THR A 119 4.351 3.920 12.736 1.00 0.00 C ATOM 970 OG1 THR A 119 3.561 4.493 13.784 1.00 0.00 O ATOM 971 CG2 THR A 119 5.766 4.475 12.800 1.00 0.00 C ATOM 0 H THR A 119 1.928 3.572 12.270 1.00 0.00 H new ATOM 0 HA THR A 119 3.808 5.278 11.151 1.00 0.00 H new ATOM 0 HB THR A 119 4.395 2.839 12.865 1.00 0.00 H new ATOM 0 HG1 THR A 119 3.976 4.299 14.650 1.00 0.00 H new ATOM 0 HG21 THR A 119 6.200 4.254 13.775 1.00 0.00 H new ATOM 0 HG22 THR A 119 6.373 4.015 12.020 1.00 0.00 H new ATOM 0 HG23 THR A 119 5.741 5.554 12.650 1.00 0.00 H new ATOM 979 N LEU A 120 4.138 2.116 10.234 1.00 0.00 N ATOM 980 CA LEU A 120 4.761 1.236 9.252 1.00 0.00 C ATOM 981 C LEU A 120 4.468 1.711 7.832 1.00 0.00 C ATOM 982 O LEU A 120 5.316 1.610 6.946 1.00 0.00 O ATOM 983 CB LEU A 120 4.262 -0.199 9.434 1.00 0.00 C ATOM 984 CG LEU A 120 4.632 -0.875 10.755 1.00 0.00 C ATOM 985 CD1 LEU A 120 3.911 -2.207 10.894 1.00 0.00 C ATOM 986 CD2 LEU A 120 6.138 -1.069 10.852 1.00 0.00 C ATOM 0 H LEU A 120 3.473 1.653 10.853 1.00 0.00 H new ATOM 0 HA LEU A 120 5.839 1.262 9.410 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.176 -0.200 9.340 1.00 0.00 H new ATOM 0 HB3 LEU A 120 4.653 -0.805 8.617 1.00 0.00 H new ATOM 0 HG LEU A 120 4.316 -0.227 11.573 1.00 0.00 H new ATOM 0 HD11 LEU A 120 4.187 -2.673 11.840 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.834 -2.042 10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.195 -2.862 10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 120 6.383 -1.551 11.798 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.478 -1.695 10.027 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.634 -0.100 10.800 1.00 0.00 H new ATOM 998 N ALA A 121 3.262 2.230 7.625 1.00 0.00 N ATOM 999 CA ALA A 121 2.859 2.725 6.314 1.00 0.00 C ATOM 1000 C ALA A 121 3.716 3.912 5.888 1.00 0.00 C ATOM 1001 O ALA A 121 4.200 3.966 4.758 1.00 0.00 O ATOM 1002 CB ALA A 121 1.387 3.111 6.326 1.00 0.00 C ATOM 0 H ALA A 121 2.548 2.319 8.348 1.00 0.00 H new ATOM 0 HA ALA A 121 3.008 1.925 5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 121 1.099 3.479 5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 121 0.784 2.239 6.578 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.222 3.892 7.068 1.00 0.00 H new ATOM 1008 N GLU A 122 3.899 4.862 6.800 1.00 0.00 N ATOM 1009 CA GLU A 122 4.697 6.049 6.516 1.00 0.00 C ATOM 1010 C GLU A 122 6.109 5.665 6.085 1.00 0.00 C ATOM 1011 O GLU A 122 6.586 6.093 5.033 1.00 0.00 O ATOM 1012 CB GLU A 122 4.757 6.957 7.747 1.00 0.00 C ATOM 1013 CG GLU A 122 3.439 7.646 8.060 1.00 0.00 C ATOM 1014 CD GLU A 122 3.624 8.924 8.855 1.00 0.00 C ATOM 1015 OE1 GLU A 122 4.049 8.839 10.026 1.00 0.00 O ATOM 1016 OE2 GLU A 122 3.343 10.010 8.305 1.00 0.00 O ATOM 0 H GLU A 122 3.506 4.833 7.741 1.00 0.00 H new ATOM 0 HA GLU A 122 4.220 6.589 5.698 1.00 0.00 H new ATOM 0 HB2 GLU A 122 5.062 6.365 8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 122 5.525 7.714 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 122 2.922 7.874 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.800 6.963 8.620 1.00 0.00 H new ATOM 1023 N ILE A 123 6.772 4.856 6.904 1.00 0.00 N ATOM 1024 CA ILE A 123 8.129 4.414 6.608 1.00 0.00 C ATOM 1025 C ILE A 123 8.202 3.744 5.240 1.00 0.00 C ATOM 1026 O ILE A 123 8.993 4.140 4.385 1.00 0.00 O ATOM 1027 CB ILE A 123 8.648 3.434 7.676 1.00 0.00 C ATOM 1028 CG1 ILE A 123 8.747 4.131 9.034 1.00 0.00 C ATOM 1029 CG2 ILE A 123 9.999 2.869 7.264 1.00 0.00 C ATOM 1030 CD1 ILE A 123 9.057 3.188 10.176 1.00 0.00 C ATOM 0 H ILE A 123 6.391 4.493 7.778 1.00 0.00 H new ATOM 0 HA ILE A 123 8.758 5.304 6.608 1.00 0.00 H new ATOM 0 HB ILE A 123 7.942 2.608 7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 123 9.522 4.896 8.985 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.807 4.642 9.240 1.00 0.00 H new ATOM 0 HG21 ILE A 123 10.353 2.178 8.029 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.899 2.341 6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 123 10.715 3.683 7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 123 9.112 3.751 11.108 1.00 0.00 H new ATOM 0 HD12 ILE A 123 8.270 2.437 10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 123 10.012 2.696 9.992 1.00 0.00 H new ATOM 1042 N ALA A 124 7.370 2.727 5.041 1.00 0.00 N ATOM 1043 CA ALA A 124 7.337 2.003 3.775 1.00 0.00 C ATOM 1044 C ALA A 124 6.844 2.899 2.644 1.00 0.00 C ATOM 1045 O ALA A 124 7.113 2.639 1.471 1.00 0.00 O ATOM 1046 CB ALA A 124 6.457 0.769 3.896 1.00 0.00 C ATOM 0 H ALA A 124 6.710 2.386 5.740 1.00 0.00 H new ATOM 0 HA ALA A 124 8.353 1.688 3.537 1.00 0.00 H new ATOM 0 HB1 ALA A 124 6.442 0.238 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.855 0.113 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 124 5.443 1.070 4.160 1.00 0.00 H new ATOM 1052 N LYS A 125 6.121 3.954 3.003 1.00 0.00 N ATOM 1053 CA LYS A 125 5.590 4.889 2.018 1.00 0.00 C ATOM 1054 C LYS A 125 6.683 5.826 1.513 1.00 0.00 C ATOM 1055 O LYS A 125 6.680 6.230 0.350 1.00 0.00 O ATOM 1056 CB LYS A 125 4.445 5.704 2.623 1.00 0.00 C ATOM 1057 CG LYS A 125 3.886 6.758 1.684 1.00 0.00 C ATOM 1058 CD LYS A 125 4.614 8.083 1.836 1.00 0.00 C ATOM 1059 CE LYS A 125 4.625 8.866 0.532 1.00 0.00 C ATOM 1060 NZ LYS A 125 3.286 9.437 0.217 1.00 0.00 N ATOM 0 H LYS A 125 5.889 4.183 3.969 1.00 0.00 H new ATOM 0 HA LYS A 125 5.211 4.312 1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 125 3.642 5.026 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 125 4.797 6.190 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 125 3.971 6.411 0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.824 6.900 1.886 1.00 0.00 H new ATOM 0 HD2 LYS A 125 4.133 8.676 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 125 5.638 7.901 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 125 5.357 9.671 0.598 1.00 0.00 H new ATOM 0 HE3 LYS A 125 4.942 8.213 -0.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.887 8.949 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.654 9.310 1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 3.382 10.451 0.008 1.00 0.00 H new ATOM 1074 N VAL A 126 7.618 6.167 2.395 1.00 0.00 N ATOM 1075 CA VAL A 126 8.718 7.054 2.037 1.00 0.00 C ATOM 1076 C VAL A 126 9.948 6.261 1.611 1.00 0.00 C ATOM 1077 O VAL A 126 10.865 6.802 0.996 1.00 0.00 O ATOM 1078 CB VAL A 126 9.098 7.978 3.210 1.00 0.00 C ATOM 1079 CG1 VAL A 126 10.370 8.750 2.892 1.00 0.00 C ATOM 1080 CG2 VAL A 126 7.954 8.928 3.531 1.00 0.00 C ATOM 0 H VAL A 126 7.635 5.842 3.362 1.00 0.00 H new ATOM 0 HA VAL A 126 8.374 7.662 1.201 1.00 0.00 H new ATOM 0 HB VAL A 126 9.286 7.362 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 126 10.622 9.397 3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 126 11.186 8.050 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 126 10.214 9.357 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 126 8.239 9.573 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 126 7.732 9.539 2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 126 7.070 8.353 3.805 1.00 0.00 H new ATOM 1090 N GLU A 127 9.959 4.973 1.943 1.00 0.00 N ATOM 1091 CA GLU A 127 11.077 4.105 1.595 1.00 0.00 C ATOM 1092 C GLU A 127 10.832 3.413 0.257 1.00 0.00 C ATOM 1093 O GLU A 127 11.621 3.549 -0.679 1.00 0.00 O ATOM 1094 CB GLU A 127 11.300 3.059 2.689 1.00 0.00 C ATOM 1095 CG GLU A 127 12.075 3.585 3.885 1.00 0.00 C ATOM 1096 CD GLU A 127 13.574 3.583 3.656 1.00 0.00 C ATOM 1097 OE1 GLU A 127 14.075 4.526 3.008 1.00 0.00 O ATOM 1098 OE2 GLU A 127 14.245 2.640 4.124 1.00 0.00 O ATOM 0 H GLU A 127 9.207 4.509 2.452 1.00 0.00 H new ATOM 0 HA GLU A 127 11.970 4.724 1.507 1.00 0.00 H new ATOM 0 HB2 GLU A 127 10.333 2.688 3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 127 11.836 2.210 2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 127 11.747 4.600 4.108 1.00 0.00 H new ATOM 0 HG3 GLU A 127 11.844 2.976 4.759 1.00 0.00 H new ATOM 1105 N LEU A 128 9.734 2.670 0.174 1.00 0.00 N ATOM 1106 CA LEU A 128 9.384 1.956 -1.049 1.00 0.00 C ATOM 1107 C LEU A 128 9.131 2.930 -2.195 1.00 0.00 C ATOM 1108 O LEU A 128 9.078 2.533 -3.359 1.00 0.00 O ATOM 1109 CB LEU A 128 8.146 1.087 -0.819 1.00 0.00 C ATOM 1110 CG LEU A 128 8.278 -0.001 0.247 1.00 0.00 C ATOM 1111 CD1 LEU A 128 6.922 -0.621 0.547 1.00 0.00 C ATOM 1112 CD2 LEU A 128 9.267 -1.067 -0.198 1.00 0.00 C ATOM 0 H LEU A 128 9.071 2.546 0.939 1.00 0.00 H new ATOM 0 HA LEU A 128 10.224 1.316 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.316 1.738 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.880 0.612 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 128 8.656 0.457 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 128 7.035 -1.393 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 128 6.242 0.149 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 128 6.515 -1.064 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.348 -1.833 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.919 -1.521 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.244 -0.612 -0.361 1.00 0.00 H new ATOM 1124 N ASP A 129 8.977 4.205 -1.857 1.00 0.00 N ATOM 1125 CA ASP A 129 8.732 5.237 -2.858 1.00 0.00 C ATOM 1126 C ASP A 129 9.841 5.251 -3.906 1.00 0.00 C ATOM 1127 O ASP A 129 11.022 5.162 -3.575 1.00 0.00 O ATOM 1128 CB ASP A 129 8.626 6.610 -2.192 1.00 0.00 C ATOM 1129 CG ASP A 129 9.970 7.304 -2.080 1.00 0.00 C ATOM 1130 OD1 ASP A 129 10.920 6.678 -1.565 1.00 0.00 O ATOM 1131 OD2 ASP A 129 10.070 8.473 -2.508 1.00 0.00 O ATOM 0 H ASP A 129 9.017 4.549 -0.898 1.00 0.00 H new ATOM 0 HA ASP A 129 7.789 5.009 -3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.943 7.237 -2.765 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.195 6.496 -1.197 1.00 0.00 H new ATOM 1136 N ASN A 130 9.450 5.361 -5.172 1.00 0.00 N ATOM 1137 CA ASN A 130 10.411 5.385 -6.269 1.00 0.00 C ATOM 1138 C ASN A 130 11.468 4.300 -6.090 1.00 0.00 C ATOM 1139 O ASN A 130 12.665 4.559 -6.210 1.00 0.00 O ATOM 1140 CB ASN A 130 11.082 6.757 -6.358 1.00 0.00 C ATOM 1141 CG ASN A 130 10.076 7.891 -6.403 1.00 0.00 C ATOM 1142 OD1 ASN A 130 9.905 8.624 -5.429 1.00 0.00 O ATOM 1143 ND2 ASN A 130 9.403 8.040 -7.539 1.00 0.00 N ATOM 0 H ASN A 130 8.475 5.435 -5.463 1.00 0.00 H new ATOM 0 HA ASN A 130 9.871 5.192 -7.196 1.00 0.00 H new ATOM 0 HB2 ASN A 130 11.740 6.893 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 130 11.708 6.795 -7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 130 8.712 8.785 -7.629 1.00 0.00 H new ATOM 0 HD22 ASN A 130 9.577 7.409 -8.321 1.00 0.00 H new ATOM 1150 N MET A 131 11.017 3.083 -5.802 1.00 0.00 N ATOM 1151 CA MET A 131 11.924 1.958 -5.608 1.00 0.00 C ATOM 1152 C MET A 131 11.991 1.091 -6.861 1.00 0.00 C ATOM 1153 O MET A 131 10.977 0.792 -7.493 1.00 0.00 O ATOM 1154 CB MET A 131 11.476 1.114 -4.413 1.00 0.00 C ATOM 1155 CG MET A 131 12.300 -0.148 -4.217 1.00 0.00 C ATOM 1156 SD MET A 131 11.610 -1.240 -2.959 1.00 0.00 S ATOM 1157 CE MET A 131 10.926 -2.542 -3.980 1.00 0.00 C ATOM 0 H MET A 131 10.029 2.851 -5.698 1.00 0.00 H new ATOM 0 HA MET A 131 12.919 2.356 -5.410 1.00 0.00 H new ATOM 0 HB2 MET A 131 11.534 1.720 -3.509 1.00 0.00 H new ATOM 0 HB3 MET A 131 10.430 0.838 -4.545 1.00 0.00 H new ATOM 0 HG2 MET A 131 12.365 -0.685 -5.163 1.00 0.00 H new ATOM 0 HG3 MET A 131 13.317 0.127 -3.936 1.00 0.00 H new ATOM 0 HE1 MET A 131 9.858 -2.636 -3.783 1.00 0.00 H new ATOM 0 HE2 MET A 131 11.081 -2.299 -5.031 1.00 0.00 H new ATOM 0 HE3 MET A 131 11.422 -3.485 -3.748 1.00 0.00 H new ATOM 1167 N PRO A 132 13.212 0.677 -7.231 1.00 0.00 N ATOM 1168 CA PRO A 132 13.439 -0.162 -8.412 1.00 0.00 C ATOM 1169 C PRO A 132 12.907 -1.579 -8.227 1.00 0.00 C ATOM 1170 O PRO A 132 13.228 -2.250 -7.246 1.00 0.00 O ATOM 1171 CB PRO A 132 14.964 -0.176 -8.548 1.00 0.00 C ATOM 1172 CG PRO A 132 15.470 0.082 -7.171 1.00 0.00 C ATOM 1173 CD PRO A 132 14.464 0.995 -6.525 1.00 0.00 C ATOM 0 HA PRO A 132 12.922 0.222 -9.291 1.00 0.00 H new ATOM 0 HB2 PRO A 132 15.319 -1.134 -8.927 1.00 0.00 H new ATOM 0 HB3 PRO A 132 15.306 0.589 -9.245 1.00 0.00 H new ATOM 0 HG2 PRO A 132 15.569 -0.848 -6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 132 16.456 0.545 -7.198 1.00 0.00 H new ATOM 0 HD2 PRO A 132 14.380 0.808 -5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 132 14.738 2.043 -6.645 1.00 0.00 H new ATOM 1181 N LEU A 133 12.094 -2.029 -9.176 1.00 0.00 N ATOM 1182 CA LEU A 133 11.517 -3.367 -9.119 1.00 0.00 C ATOM 1183 C LEU A 133 11.585 -4.049 -10.482 1.00 0.00 C ATOM 1184 O LEU A 133 10.838 -3.704 -11.397 1.00 0.00 O ATOM 1185 CB LEU A 133 10.065 -3.299 -8.642 1.00 0.00 C ATOM 1186 CG LEU A 133 9.308 -4.627 -8.603 1.00 0.00 C ATOM 1187 CD1 LEU A 133 9.715 -5.438 -7.383 1.00 0.00 C ATOM 1188 CD2 LEU A 133 7.806 -4.384 -8.608 1.00 0.00 C ATOM 0 H LEU A 133 11.819 -1.486 -9.995 1.00 0.00 H new ATOM 0 HA LEU A 133 12.099 -3.956 -8.410 1.00 0.00 H new ATOM 0 HB2 LEU A 133 10.052 -2.867 -7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 133 9.522 -2.613 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 133 9.567 -5.198 -9.495 1.00 0.00 H new ATOM 0 HD11 LEU A 133 9.166 -6.380 -7.372 1.00 0.00 H new ATOM 0 HD12 LEU A 133 10.785 -5.642 -7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 133 9.486 -4.874 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.283 -5.340 -8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.530 -3.793 -7.734 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.528 -3.844 -9.513 1.00 0.00 H new ATOM 1200 N ARG A 134 12.485 -5.019 -10.608 1.00 0.00 N ATOM 1201 CA ARG A 134 12.650 -5.749 -11.859 1.00 0.00 C ATOM 1202 C ARG A 134 12.910 -4.791 -13.018 1.00 0.00 C ATOM 1203 O ARG A 134 12.411 -4.990 -14.125 1.00 0.00 O ATOM 1204 CB ARG A 134 11.406 -6.592 -12.150 1.00 0.00 C ATOM 1205 CG ARG A 134 11.292 -7.830 -11.276 1.00 0.00 C ATOM 1206 CD ARG A 134 9.932 -8.494 -11.425 1.00 0.00 C ATOM 1207 NE ARG A 134 9.985 -9.923 -11.128 1.00 0.00 N ATOM 1208 CZ ARG A 134 10.112 -10.415 -9.901 1.00 0.00 C ATOM 1209 NH1 ARG A 134 10.199 -9.596 -8.861 1.00 0.00 N ATOM 1210 NH2 ARG A 134 10.153 -11.727 -9.711 1.00 0.00 N ATOM 0 H ARG A 134 13.111 -5.317 -9.860 1.00 0.00 H new ATOM 0 HA ARG A 134 13.512 -6.408 -11.755 1.00 0.00 H new ATOM 0 HB2 ARG A 134 10.518 -5.975 -12.009 1.00 0.00 H new ATOM 0 HB3 ARG A 134 11.420 -6.896 -13.197 1.00 0.00 H new ATOM 0 HG2 ARG A 134 12.075 -8.539 -11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 134 11.452 -7.556 -10.233 1.00 0.00 H new ATOM 0 HD2 ARG A 134 9.218 -8.011 -10.758 1.00 0.00 H new ATOM 0 HD3 ARG A 134 9.567 -8.348 -12.442 1.00 0.00 H new ATOM 0 HE ARG A 134 9.921 -10.579 -11.906 1.00 0.00 H new ATOM 0 HH11 ARG A 134 10.168 -8.586 -9.003 1.00 0.00 H new ATOM 0 HH12 ARG A 134 10.296 -9.976 -7.919 1.00 0.00 H new ATOM 0 HH21 ARG A 134 10.087 -12.360 -10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 134 10.251 -12.103 -8.768 1.00 0.00 H new ATOM 1224 N GLY A 135 13.695 -3.751 -12.755 1.00 0.00 N ATOM 1225 CA GLY A 135 14.007 -2.778 -13.785 1.00 0.00 C ATOM 1226 C GLY A 135 12.864 -1.815 -14.039 1.00 0.00 C ATOM 1227 O GLY A 135 12.770 -1.220 -15.112 1.00 0.00 O ATOM 0 H GLY A 135 14.120 -3.565 -11.847 1.00 0.00 H new ATOM 0 HA2 GLY A 135 14.894 -2.215 -13.492 1.00 0.00 H new ATOM 0 HA3 GLY A 135 14.251 -3.299 -14.711 1.00 0.00 H new ATOM 1231 N LYS A 136 11.990 -1.663 -13.050 1.00 0.00 N ATOM 1232 CA LYS A 136 10.846 -0.767 -13.170 1.00 0.00 C ATOM 1233 C LYS A 136 10.756 0.166 -11.967 1.00 0.00 C ATOM 1234 O LYS A 136 11.485 0.002 -10.988 1.00 0.00 O ATOM 1235 CB LYS A 136 9.552 -1.574 -13.301 1.00 0.00 C ATOM 1236 CG LYS A 136 9.575 -2.580 -14.438 1.00 0.00 C ATOM 1237 CD LYS A 136 9.126 -1.952 -15.748 1.00 0.00 C ATOM 1238 CE LYS A 136 8.467 -2.976 -16.659 1.00 0.00 C ATOM 1239 NZ LYS A 136 8.214 -2.425 -18.020 1.00 0.00 N ATOM 0 H LYS A 136 12.052 -2.149 -12.156 1.00 0.00 H new ATOM 0 HA LYS A 136 10.983 -0.162 -14.066 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.366 -2.101 -12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.719 -0.887 -13.452 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.583 -2.979 -14.551 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.925 -3.420 -14.195 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.426 -1.142 -15.543 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.985 -1.511 -16.255 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.104 -3.857 -16.736 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.525 -3.302 -16.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 7.764 -3.153 -18.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 7.585 -1.599 -17.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.116 -2.137 -18.451 1.00 0.00 H new ATOM 1253 N GLN A 137 9.859 1.142 -12.046 1.00 0.00 N ATOM 1254 CA GLN A 137 9.675 2.100 -10.962 1.00 0.00 C ATOM 1255 C GLN A 137 8.384 1.819 -10.201 1.00 0.00 C ATOM 1256 O GLN A 137 7.375 1.427 -10.790 1.00 0.00 O ATOM 1257 CB GLN A 137 9.655 3.527 -11.512 1.00 0.00 C ATOM 1258 CG GLN A 137 8.392 3.863 -12.289 1.00 0.00 C ATOM 1259 CD GLN A 137 8.572 5.054 -13.210 1.00 0.00 C ATOM 1260 OE1 GLN A 137 9.641 5.249 -13.789 1.00 0.00 O ATOM 1261 NE2 GLN A 137 7.525 5.858 -13.350 1.00 0.00 N ATOM 0 H GLN A 137 9.248 1.291 -12.849 1.00 0.00 H new ATOM 0 HA GLN A 137 10.513 1.995 -10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 137 9.759 4.228 -10.684 1.00 0.00 H new ATOM 0 HB3 GLN A 137 10.519 3.669 -12.161 1.00 0.00 H new ATOM 0 HG2 GLN A 137 8.091 2.996 -12.877 1.00 0.00 H new ATOM 0 HG3 GLN A 137 7.583 4.070 -11.588 1.00 0.00 H new ATOM 0 HE21 GLN A 137 6.658 5.658 -12.851 1.00 0.00 H new ATOM 0 HE22 GLN A 137 7.587 6.676 -13.957 1.00 0.00 H new ATOM 1270 N LEU A 138 8.421 2.020 -8.888 1.00 0.00 N ATOM 1271 CA LEU A 138 7.254 1.787 -8.045 1.00 0.00 C ATOM 1272 C LEU A 138 6.754 3.093 -7.435 1.00 0.00 C ATOM 1273 O LEU A 138 7.480 3.765 -6.702 1.00 0.00 O ATOM 1274 CB LEU A 138 7.592 0.790 -6.936 1.00 0.00 C ATOM 1275 CG LEU A 138 7.633 -0.683 -7.347 1.00 0.00 C ATOM 1276 CD1 LEU A 138 8.245 -1.529 -6.242 1.00 0.00 C ATOM 1277 CD2 LEU A 138 6.236 -1.179 -7.690 1.00 0.00 C ATOM 0 H LEU A 138 9.247 2.344 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 138 6.463 1.372 -8.669 1.00 0.00 H new ATOM 0 HB2 LEU A 138 8.563 1.057 -6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 138 6.859 0.903 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 138 8.258 -0.776 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 138 8.266 -2.574 -6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 138 9.262 -1.189 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 138 7.647 -1.432 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.284 -2.229 -7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 138 5.588 -1.072 -6.820 1.00 0.00 H new ATOM 0 HD23 LEU A 138 5.834 -0.592 -8.516 1.00 0.00 H new ATOM 1289 N ARG A 139 5.509 3.445 -7.740 1.00 0.00 N ATOM 1290 CA ARG A 139 4.912 4.669 -7.221 1.00 0.00 C ATOM 1291 C ARG A 139 4.070 4.380 -5.981 1.00 0.00 C ATOM 1292 O ARG A 139 3.117 3.603 -6.033 1.00 0.00 O ATOM 1293 CB ARG A 139 4.049 5.335 -8.293 1.00 0.00 C ATOM 1294 CG ARG A 139 3.525 6.704 -7.890 1.00 0.00 C ATOM 1295 CD ARG A 139 4.533 7.799 -8.198 1.00 0.00 C ATOM 1296 NE ARG A 139 4.367 8.958 -7.324 1.00 0.00 N ATOM 1297 CZ ARG A 139 4.716 8.968 -6.043 1.00 0.00 C ATOM 1298 NH1 ARG A 139 5.248 7.888 -5.489 1.00 0.00 N ATOM 1299 NH2 ARG A 139 4.533 10.061 -5.313 1.00 0.00 N ATOM 0 H ARG A 139 4.894 2.899 -8.344 1.00 0.00 H new ATOM 0 HA ARG A 139 5.719 5.347 -6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 139 4.633 5.434 -9.208 1.00 0.00 H new ATOM 0 HB3 ARG A 139 3.204 4.685 -8.523 1.00 0.00 H new ATOM 0 HG2 ARG A 139 2.593 6.907 -8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 139 3.296 6.708 -6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 139 5.543 7.404 -8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 139 4.424 8.110 -9.237 1.00 0.00 H new ATOM 0 HE ARG A 139 3.961 9.806 -7.720 1.00 0.00 H new ATOM 0 HH11 ARG A 139 5.390 7.046 -6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 139 5.515 7.899 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 139 4.124 10.894 -5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 139 4.801 10.068 -4.329 1.00 0.00 H new ATOM 1313 N VAL A 140 4.430 5.011 -4.868 1.00 0.00 N ATOM 1314 CA VAL A 140 3.707 4.823 -3.615 1.00 0.00 C ATOM 1315 C VAL A 140 3.011 6.108 -3.184 1.00 0.00 C ATOM 1316 O VAL A 140 3.653 7.143 -3.002 1.00 0.00 O ATOM 1317 CB VAL A 140 4.649 4.359 -2.489 1.00 0.00 C ATOM 1318 CG1 VAL A 140 3.856 4.010 -1.239 1.00 0.00 C ATOM 1319 CG2 VAL A 140 5.485 3.174 -2.947 1.00 0.00 C ATOM 0 H VAL A 140 5.217 5.657 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 140 2.958 4.051 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 140 5.325 5.178 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 140 4.539 3.684 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 140 3.306 4.888 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 140 3.154 3.207 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.145 2.860 -2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 140 4.827 2.349 -3.220 1.00 0.00 H new ATOM 0 HG23 VAL A 140 6.083 3.463 -3.811 1.00 0.00 H new ATOM 1329 N ARG A 141 1.694 6.036 -3.022 1.00 0.00 N ATOM 1330 CA ARG A 141 0.909 7.194 -2.612 1.00 0.00 C ATOM 1331 C ARG A 141 -0.128 6.805 -1.562 1.00 0.00 C ATOM 1332 O ARG A 141 -0.534 5.646 -1.476 1.00 0.00 O ATOM 1333 CB ARG A 141 0.215 7.821 -3.823 1.00 0.00 C ATOM 1334 CG ARG A 141 1.179 8.345 -4.874 1.00 0.00 C ATOM 1335 CD ARG A 141 0.521 9.389 -5.762 1.00 0.00 C ATOM 1336 NE ARG A 141 1.497 10.313 -6.336 1.00 0.00 N ATOM 1337 CZ ARG A 141 1.166 11.356 -7.089 1.00 0.00 C ATOM 1338 NH1 ARG A 141 -0.108 11.606 -7.358 1.00 0.00 N ATOM 1339 NH2 ARG A 141 2.111 12.151 -7.575 1.00 0.00 N ATOM 0 H ARG A 141 1.148 5.187 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 141 1.588 7.924 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 141 -0.440 7.079 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 141 -0.419 8.640 -3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 141 2.051 8.779 -4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 141 1.536 7.517 -5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 141 -0.023 8.891 -6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 141 -0.211 9.950 -5.181 1.00 0.00 H new ATOM 0 HE ARG A 141 2.486 10.148 -6.148 1.00 0.00 H new ATOM 0 HH11 ARG A 141 -0.837 10.997 -6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 141 -0.359 12.408 -7.936 1.00 0.00 H new ATOM 0 HH21 ARG A 141 3.092 11.961 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 141 1.856 12.952 -8.153 1.00 0.00 H new ATOM 1353 N PHE A 142 -0.552 7.781 -0.767 1.00 0.00 N ATOM 1354 CA PHE A 142 -1.541 7.541 0.278 1.00 0.00 C ATOM 1355 C PHE A 142 -2.955 7.565 -0.295 1.00 0.00 C ATOM 1356 O PHE A 142 -3.534 8.631 -0.501 1.00 0.00 O ATOM 1357 CB PHE A 142 -1.409 8.589 1.385 1.00 0.00 C ATOM 1358 CG PHE A 142 -0.288 8.309 2.345 1.00 0.00 C ATOM 1359 CD1 PHE A 142 -0.261 7.131 3.074 1.00 0.00 C ATOM 1360 CD2 PHE A 142 0.738 9.223 2.518 1.00 0.00 C ATOM 1361 CE1 PHE A 142 0.768 6.872 3.959 1.00 0.00 C ATOM 1362 CE2 PHE A 142 1.771 8.969 3.401 1.00 0.00 C ATOM 1363 CZ PHE A 142 1.786 7.791 4.122 1.00 0.00 C ATOM 0 H PHE A 142 -0.227 8.746 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.356 6.553 0.699 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -1.252 9.568 0.931 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.346 8.641 1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.053 6.407 2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 142 0.731 10.145 1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 142 0.776 5.951 4.523 1.00 0.00 H new ATOM 0 HE2 PHE A 142 2.565 9.690 3.527 1.00 0.00 H new ATOM 0 HZ PHE A 142 2.592 7.589 4.812 1.00 0.00 H new ATOM 1373 N ALA A 143 -3.503 6.382 -0.551 1.00 0.00 N ATOM 1374 CA ALA A 143 -4.849 6.266 -1.099 1.00 0.00 C ATOM 1375 C ALA A 143 -5.901 6.409 -0.004 1.00 0.00 C ATOM 1376 O ALA A 143 -6.243 5.438 0.672 1.00 0.00 O ATOM 1377 CB ALA A 143 -5.013 4.937 -1.820 1.00 0.00 C ATOM 0 H ALA A 143 -3.036 5.490 -0.388 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.994 7.075 -1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.023 4.864 -2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -4.291 4.873 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -4.843 4.120 -1.119 1.00 0.00 H new